benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide

C21H32N4O2 — CID 142375760

IUPACbenzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide
SMILESCCCCC1N(C)C(=O)[C@H](CC(C)C)N1C(=O)NC.N#Cc1ccccc1
InChIInChI=1S/C14H27N3O2.C7H5N/c1-6-7-8-12-16(5)13(18)11(9-10(2)3)17(12)14(19)15-4;8-6-7-4-2-1-3-5-7/h10-12H,6-9H2,1-5H3,(H,15,19);1-5H/t11-,12?;/m0./s1
InChIKeyGOWCIUXPVGTHLQ-YLIVSKOQSA-N
MW372.51 g/mol
LogP3.59
Rot. Bonds5

About benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide

benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide (PubChem CID 142375760) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Namebenzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide
PubChem CID142375760
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Namebenzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide
SMILESCCCCC1N(C)C(=O)[C@H](CC(C)C)N1C(=O)NC.N#Cc1ccccc1
InChIInChI=1S/C14H27N3O2.C7H5N/c1-6-7-8-12-16(5)13(18)11(9-10(2)3)17(12)14(19)15-4;8-6-7-4-2-1-3-5-7/h10-12H,6-9H2,1-5H3,(H,15,19);1-5H/t11-,12?;/m0./s1
InChIKeyGOWCIUXPVGTHLQ-YLIVSKOQSA-N
XLogP3.59
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide?
The IUPAC name of benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide (CID 142375760) is benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide?
The canonical SMILES for benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide is CCCCC1N(C)C(=O)[C@H](CC(C)C)N1C(=O)NC.N#Cc1ccccc1.
What is the InChIKey of benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide?
The InChIKey is GOWCIUXPVGTHLQ-YLIVSKOQSA-N. The full InChI is InChI=1S/C14H27N3O2.C7H5N/c1-6-7-8-12-16(5)13(18)11(9-10(2)3)17(12)14(19)15-4;8-6-7-4-2-1-3-5-7/h10-12H,6-9H2,1-5H3,(H,15,19);1-5H/t11-,12?;/m0./s1.
What are the key properties of benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide?
benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;(5S)-2-butyl-N,3-dimethyl-5-(2-methylpropyl)-4-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 142375760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).